N-[5-[(5R)-5-aminooxepan-2-yl]-1-methylpyrazol-4-yl]-2-pyrazin-2-yl-1,3-thiazole-4-carboxamide

C18H21N7O2S — CID 146243195

IUPACN-[5-[(5R)-5-aminooxepan-2-yl]-1-methylpyrazol-4-yl]-2-pyrazin-2-yl-1,3-thiazole-4-carboxamide
SMILESCn1ncc(NC(=O)c2csc(-c3cnccn3)n2)c1C1CC[C@@H](N)CCO1
InChIInChI=1S/C18H21N7O2S/c1-25-16(15-3-2-11(19)4-7-27-15)12(9-22-25)23-17(26)14-10-28-18(24-14)13-8-20-5-6-21-13/h5-6,8-11,15H,2-4,7,19H2,1H3,(H,23,26)/t11-,15?/m1/s1
InChIKeyVEROCEMTXNWWSG-ZRKZCGFPSA-N
MW399.48 g/mol
LogP2.15
Rot. Bonds4

About N-[5-[(5R)-5-aminooxepan-2-yl]-1-methylpyrazol-4-yl]-2-pyrazin-2-yl-1,3-thiazole-4-carboxamide

N-[5-[(5R)-5-aminooxepan-2-yl]-1-methylpyrazol-4-yl]-2-pyrazin-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 146243195) has the molecular formula C18H21N7O2S and a molecular weight of 399.48 g/mol. Its IUPAC name is N-[5-[(5R)-5-aminooxepan-2-yl]-1-methylpyrazol-4-yl]-2-pyrazin-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[5-[(5R)-5-aminooxepan-2-yl]-1-methylpyrazol-4-yl]-2-pyrazin-2-yl-1,3-thiazole-4-carboxamide
PubChem CID146243195
Molecular FormulaC18H21N7O2S
Molecular Weight399.48 g/mol
Exact Mass399.15
IUPAC NameN-[5-[(5R)-5-aminooxepan-2-yl]-1-methylpyrazol-4-yl]-2-pyrazin-2-yl-1,3-thiazole-4-carboxamide
SMILESCn1ncc(NC(=O)c2csc(-c3cnccn3)n2)c1C1CC[C@@H](N)CCO1
InChIInChI=1S/C18H21N7O2S/c1-25-16(15-3-2-11(19)4-7-27-15)12(9-22-25)23-17(26)14-10-28-18(24-14)13-8-20-5-6-21-13/h5-6,8-11,15H,2-4,7,19H2,1H3,(H,23,26)/t11-,15?/m1/s1
InChIKeyVEROCEMTXNWWSG-ZRKZCGFPSA-N
XLogP2.15
TPSA120.84 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.48
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

N-[5-[(2S,5R,6S)-5-amino-6-fluorooxepan-2-yl]-1-methylpyrazol-4-yl]-2-imidazo[1,2-a]pyrazin-6-yl-1,3-thiazole-4-carboxamide
CID 118385206
N-[5-[(2S,5R,6S)-5-amino-6-fluorooxepan-2-yl]-1-methylpyrazol-4-yl]-2-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide
CID 90072520
N-[5-[(2S,5R,6S)-5-amino-6-fluorooxepan-2-yl]-1-methylpyrazol-4-yl]-2-[6-(dimethylamino)-3-pyridinyl]-1,3-thiazole-4-carboxamide
CID 90072744
N-[5-[(2S,5R,6R)-5-amino-6-fluorooxepan-2-yl]-1-methylpyrazol-4-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-thiazole-4-carboxamide
CID 86713901
N-[5-[(2S,5R,6S)-5-amino-6-fluorooxepan-2-yl]-1-methylpyrazol-4-yl]-2-[2,6-difluoro-4-(oxolan-3-yl)phenyl]-1,3-thiazole-4-carboxamide
CID 73438360
N-[5-[(2S,5R,6S)-5-amino-6-fluorooxepan-2-yl]-1-methylpyrazol-4-yl]-2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)-1,3-thiazole-4-carboxamide
CID 118385175
N-[5-[(2S,5R,6S)-5-amino-6-fluorooxepan-2-yl]-1-methylpyrazol-4-yl]-2-(5-chloro-2-fluoro-4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 118385176
N-[5-[(2S,5R,6S)-5-amino-6-fluorooxepan-2-yl]-1-methylpyrazol-4-yl]-2-(5-cyclopropyl-2-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 90072761
N-[5-[(2S,5R)-5-aminooxepan-2-yl]-1H-pyrazol-4-yl]-2-(3-methyl-2-pyridinyl)-1,3-thiazole-4-carboxamide
CID 146243154
N-[5-[(2S,5R,6S)-5-amino-6-fluorooxepan-2-yl]-1-methylpyrazol-4-yl]-2-[3-(difluoromethyl)-2-fluoro-6-methoxyphenyl]-1,3-thiazole-4-carboxamide
CID 90072362
2-pyrazin-2-yl-N-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 100617019
4-ethyl-1-[(2-pyrazin-2-yl-1,3-thiazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 120530164

Frequently Asked Questions

What is the IUPAC name of N-[5-[(5R)-5-aminooxepan-2-yl]-1-methylpyrazol-4-yl]-2-pyrazin-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[5-[(5R)-5-aminooxepan-2-yl]-1-methylpyrazol-4-yl]-2-pyrazin-2-yl-1,3-thiazole-4-carboxamide (CID 146243195) is N-[5-[(5R)-5-aminooxepan-2-yl]-1-methylpyrazol-4-yl]-2-pyrazin-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[5-[(5R)-5-aminooxepan-2-yl]-1-methylpyrazol-4-yl]-2-pyrazin-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[5-[(5R)-5-aminooxepan-2-yl]-1-methylpyrazol-4-yl]-2-pyrazin-2-yl-1,3-thiazole-4-carboxamide is Cn1ncc(NC(=O)c2csc(-c3cnccn3)n2)c1C1CC[C@@H](N)CCO1.
What is the InChIKey of N-[5-[(5R)-5-aminooxepan-2-yl]-1-methylpyrazol-4-yl]-2-pyrazin-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is VEROCEMTXNWWSG-ZRKZCGFPSA-N. The full InChI is InChI=1S/C18H21N7O2S/c1-25-16(15-3-2-11(19)4-7-27-15)12(9-22-25)23-17(26)14-10-28-18(24-14)13-8-20-5-6-21-13/h5-6,8-11,15H,2-4,7,19H2,1H3,(H,23,26)/t11-,15?/m1/s1.
What are the key properties of N-[5-[(5R)-5-aminooxepan-2-yl]-1-methylpyrazol-4-yl]-2-pyrazin-2-yl-1,3-thiazole-4-carboxamide?
N-[5-[(5R)-5-aminooxepan-2-yl]-1-methylpyrazol-4-yl]-2-pyrazin-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 399.48 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(5R)-5-aminooxepan-2-yl]-1-methylpyrazol-4-yl]-2-pyrazin-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 146243195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).